2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine

C16H25BrN2 — CID 117025726

IUPAC2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine
SMILESCc1cc(Br)ccc1N1CCC(C)(C)C(CCN)C1
InChIInChI=1S/C16H25BrN2/c1-12-10-14(17)4-5-15(12)19-9-7-16(2,3)13(11-19)6-8-18/h4-5,10,13H,6-9,11,18H2,1-3H3
InChIKeySGZIXOAOPAAUAI-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.96
Rot. Bonds3

About 2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine

2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine (PubChem CID 117025726) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine
PubChem CID117025726
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine
SMILESCc1cc(Br)ccc1N1CCC(C)(C)C(CCN)C1
InChIInChI=1S/C16H25BrN2/c1-12-10-14(17)4-5-15(12)19-9-7-16(2,3)13(11-19)6-8-18/h4-5,10,13H,6-9,11,18H2,1-3H3
InChIKeySGZIXOAOPAAUAI-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanol
CID 117025606
[3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol
CID 117012261
[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117025837
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575
4-amino-1-(4-bromo-2-methylphenyl)piperidine-4-carboxylic acid
CID 117011802
1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine
CID 117019252
1-(4-bromo-2-methylphenyl)piperidine
CID 66800775
[4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine
CID 117025776
3-(2-aminoethyl)-4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one
CID 84606919
1-(4-bromo-2-methylphenyl)piperidine-4-carbonitrile
CID 117003373
2-[1-(2,5-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]acetonitrile
CID 117025645
1-(4-bromo-2-methylphenyl)piperidine-3-carboxylic acid
CID 117008239

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine (CID 117025726) is 2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine is Cc1cc(Br)ccc1N1CCC(C)(C)C(CCN)C1.
What is the InChIKey of 2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine?
The InChIKey is SGZIXOAOPAAUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-12-10-14(17)4-5-15(12)19-9-7-16(2,3)13(11-19)6-8-18/h4-5,10,13H,6-9,11,18H2,1-3H3.
What are the key properties of 2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine?
2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine has a molecular weight of 325.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine is sourced from PubChem (CID 117025726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).